#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/54/1535404.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1535404
loop_
_publ_author_name
'Boller, H.'
'Blaha, H.'
_publ_section_title
;
 Zur Kenntnis des Natriumthioferrates(III)
;
_journal_name_full
;
Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)
;
_journal_page_first              145
_journal_page_last               154
_journal_volume                  114
_journal_year                    1983
_chemical_formula_sum            'Fe Na S2'
_chemical_name_systematic        'Na Fe S2'
_space_group_IT_number           23
_symmetry_space_group_name_Hall  'I 2 2'
_symmetry_space_group_name_H-M   'I 2 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.25
_cell_length_b                   10.83
_cell_length_c                   5.4
_cell_volume                     365.513
_citation_journal_id_ASTM        MOCMB7
_cod_data_source_file            Boller_MOCMB7_1983_131.cif
_cod_data_source_block           Fe1Na1S2
_cod_original_cell_volume        365.5125
_cod_original_formula_sum        'Fe1 Na1 S2'
_cod_database_code               1535404
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
S1 S-2 0.2 0.115 0.75 1 0.0
Na1 Na+1 0 0.28 0 1 0.0
Fe1 Fe+3 0 0 0 1 0.0
Fe2 Fe+3 0 0 0.5 1 0.0
